ATP
| SMILES | O[C@@H]1[C@@H](COP(=O)(OP(=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1ncnc2N |
| InChIKey | ZKHQWZAMYRWXGA-KQYNXXCUSA-N |
Chemical properties
| Hydrogen bond acceptors | 14 |
| Hydrogen bond donors | 7 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 507.0 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Endogenous |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| P2Y1 | P2RY1 | Human | P2Y | A | pKi | 4.8 | 4.8 | 4.8 | Guide to Pharmacology |
| P2Y4 | P2RY4 | Human | P2Y | A | pKd | 6.2 | 6.2 | 6.2 | Guide to Pharmacology |
| P2Y4 | P2RY4 | Human | P2Y | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| P2Y1 | P2RY1 | Human | P2Y | A | pIC50 | 6.1 | 6.95 | 7.8 | Guide to Pharmacology |
| P2Y2 | P2RY2 | Human | P2Y | A | pEC50 | 6.64 | 6.87 | 7.1 | Guide to Pharmacology |
| P2Y4 | P2RY4 | Human | P2Y | A | pEC50 | 5.37 | 5.37 | 5.37 | Guide to Pharmacology |
| P2Y11 | P2Y11 | Human | P2Y | A | pEC50 | 4.2 | 4.9 | 5.6 | Guide to Pharmacology |
| P2Y13 | P2Y13 | Human | P2Y | A | pIC50 | 5.4 | 5.4 | 5.4 | Guide to Pharmacology |
| GPR17 | GPR17 | Human | A orphans | A | pEC50 | 7.43 | 7.43 | 7.43 | Guide to Pharmacology |
| P2Y4 | P2RY4 | Rat | P2Y | A | pEC50 | 5.7 | 6.0 | 6.3 | Guide to Pharmacology |
| P2Y1 | P2RY1 | Rat | P2Y | A | pEC50 | 6.23 | 7.21 | 8.7 | ChEMBL |
| P2Y12 | P2Y12 | Rat | P2Y | A | pEC50 | 5.5 | 5.5 | 5.5 | ChEMBL |
| P2Y11 | P2Y11 | Human | P2Y | A | pEC50 | 4.76 | 5.07 | 5.48 | ChEMBL |
| P2Y1 | P2RY1 | Wild turkey | P2Y | A | pEC50 | 5.2 | 5.43 | 5.55 | ChEMBL |
| P2Y4 | P2RY4 | Human | P2Y | A | pEC50 | 4.37 | 4.37 | 4.37 | ChEMBL |
| P2Y2 | P2RY2 | Human | P2Y | A | pEC50 | 4.93 | 6.72 | 7.52 | ChEMBL |
| P2Y1 | P2RY1 | Human | P2Y | A | pEC50 | 5.82 | 6.26 | 6.82 | ChEMBL |
| P2Y1 | P2RY1 | Human | P2Y | A | pEC50 | 8.22 | 8.22 | 8.22 | Drug Central |
| P2Y2 | P2RY2 | Human | P2Y | A | pEC50 | 8.15 | 8.15 | 8.15 | Drug Central |
| P2Y11 | P2Y11 | Human | P2Y | A | pEC50 | 8.29 | 8.29 | 8.29 | Drug Central |
| P2Y13 | P2Y13 | Human | P2Y | A | pIC50 | 8.27 | 8.27 | 8.27 | Drug Central |
| GPR17 | GPR17 | Human | A orphans | A | pEC50 | 8.13 | 8.13 | 8.13 | Drug Central |
| P2Y1 | P2RY1 | Wild turkey | P2Y | A | pEC50 | 8.26 | 8.26 | 8.26 | Drug Central |
| P2Y4 | P2RY4 | Rat | P2Y | A | pEC50 | 8.2 | 8.2 | 8.2 | Drug Central |
| P2Y4 | P2RY4 | Rat | P2Y | A | pEC50 | 5.75 | 5.75 | 5.75 | ChEMBL |